==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 26-SEP-05 2C25 . COMPND 2 MOLECULE: PSATHYRELLA VELUTINA LECTIN PVL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSATHYRELLA VELUTINA; . AUTHOR G.CIOCI,E.P.MITCHELL,V.CHAZALET,C.GAUTIER,S.OSCARSON, . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 484 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 265 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 25 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 91 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 3 10 17 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 53 0, 0.0 14,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-174.3 12.8 -14.4 2.6 2 2 A V - 0 0 51 12,-0.1 2,-0.7 231,-0.0 231,-0.1 -0.669 360.0 -72.9-125.9 169.2 9.6 -14.9 4.6 3 3 A V + 0 0 76 -2,-0.2 174,-0.6 9,-0.1 2,-0.4 -0.581 56.5 160.4 -74.8 107.6 8.6 -15.8 8.3 4 4 A V E -A 176 0A 27 -2,-0.7 2,-0.5 172,-0.2 172,-0.2 -0.990 23.9-155.7-124.0 135.8 9.3 -19.5 8.9 5 5 A I E +A 175 0A 3 170,-2.7 170,-2.4 -2,-0.4 2,-0.3 -0.967 20.6 172.0-111.9 124.9 9.6 -20.8 12.5 6 6 A S - 0 0 17 3,-1.9 168,-0.1 -2,-0.5 224,-0.0 -0.833 46.3-111.4-128.6 170.3 11.6 -24.0 13.0 7 7 A Q S S+ 0 0 60 166,-0.5 -1,-0.1 -2,-0.3 111,-0.1 0.909 121.4 44.4 -63.5 -40.7 12.9 -26.1 15.8 8 8 A A S S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.836 128.7 26.4 -72.7 -35.3 16.5 -25.2 14.8 9 9 A L + 0 0 89 1,-0.1 -3,-1.9 386,-0.0 -1,-0.3 -0.720 65.1 161.0-132.4 79.5 15.6 -21.5 14.4 10 10 A P + 0 0 21 0, 0.0 110,-0.3 0, 0.0 -1,-0.1 0.562 68.4 64.4 -79.1 -8.2 12.6 -20.6 16.6 11 11 A V S S- 0 0 14 -3,-0.1 385,-0.2 51,-0.1 53,-0.1 -0.896 80.0-154.1-116.1 98.0 13.5 -16.8 16.4 12 12 A P - 0 0 48 0, 0.0 386,-0.4 0, 0.0 2,-0.3 -0.346 4.4-148.7 -69.9 155.9 13.1 -15.7 12.8 13 13 A T - 0 0 37 384,-0.1 2,-0.2 -2,-0.0 4,-0.0 -0.896 19.9-104.2-126.4 153.6 15.0 -12.7 11.5 14 14 A R - 0 0 90 -2,-0.3 329,-0.4 329,-0.1 5,-0.2 -0.513 21.4-127.1 -86.0 144.6 14.0 -10.1 8.9 15 15 A I S S+ 0 0 16 -14,-0.3 2,-0.1 1,-0.2 477,-0.1 -0.988 104.2 29.9-123.6 112.2 15.3 -9.8 5.3 16 16 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.659 103.3 120.8 -75.3 160.2 16.2 -6.9 4.9 17 17 A G - 0 0 7 -2,-0.1 329,-2.1 2,-0.1 328,-0.5 -0.976 62.9-127.0-175.9 165.3 17.4 -6.2 8.4 18 18 A V B -E 344 0B 6 -2,-0.3 16,-0.3 327,-0.2 326,-0.3 -0.790 43.5-154.6-125.1 79.1 20.2 -5.2 10.8 19 19 A A - 0 0 1 324,-2.4 379,-0.2 -2,-0.4 2,-0.1 -0.330 2.1-144.2 -68.1 143.3 19.9 -8.1 13.3 20 20 A D E -F 397 0C 2 377,-2.4 377,-2.5 380,-0.1 2,-0.4 -0.423 16.2-117.7 -89.2 168.5 21.1 -7.8 16.8 21 21 A L E -FG 396 32C 2 11,-2.3 11,-3.3 375,-0.2 2,-0.4 -0.939 26.8-169.0-113.1 137.3 22.8 -10.4 18.9 22 22 A V E -FG 395 31C 1 373,-2.6 373,-2.4 -2,-0.4 2,-0.5 -0.992 1.7-170.0-129.8 129.5 21.1 -11.7 22.1 23 23 A G E -FG 394 30C 0 7,-2.9 7,-2.7 -2,-0.4 2,-1.0 -0.981 18.1-158.1-127.5 125.3 22.7 -13.9 24.7 24 24 A F E +FG 393 29C 0 369,-3.2 369,-1.5 -2,-0.5 5,-0.2 -0.849 38.5 172.8 -91.0 91.6 21.1 -15.7 27.7 25 25 A G E > - G 0 28C 0 3,-2.2 3,-1.4 -2,-1.0 24,-0.5 -0.281 49.2 -85.0 -94.5-176.7 24.2 -16.1 29.7 26 26 A N T 3 S+ 0 0 49 1,-0.3 24,-2.2 22,-0.2 25,-2.1 0.872 127.7 44.3 -55.4 -39.7 24.9 -17.3 33.2 27 27 A G T 3 S- 0 0 20 1,-0.2 2,-0.3 23,-0.2 -1,-0.3 0.387 123.1 -89.6 -92.7 1.4 24.2 -13.9 34.7 28 28 A G E < S-G 25 0C 0 -3,-1.4 -3,-2.2 19,-0.2 2,-0.5 -0.931 72.4 -11.8 129.9-151.7 21.1 -13.1 32.7 29 29 A V E +GH 24 44C 1 15,-2.0 14,-3.3 17,-0.4 15,-1.4 -0.786 53.3 176.4 -96.6 133.8 20.3 -11.4 29.4 30 30 A Y E -GH 23 42C 49 -7,-2.7 -7,-2.9 -2,-0.5 2,-0.4 -0.929 8.8-160.4-130.9 145.5 22.8 -9.4 27.4 31 31 A I E -GH 22 41C 2 10,-2.6 10,-2.8 -2,-0.3 2,-0.6 -0.957 17.1-154.6-126.7 150.9 22.5 -7.8 24.0 32 32 A I E -G 21 0C 2 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.3 -0.953 26.6-146.5-115.0 105.8 24.8 -6.6 21.3 33 33 A R - 0 0 26 -2,-0.6 2,-0.7 6,-0.5 6,-0.3 -0.593 19.0-118.6 -73.6 129.5 22.8 -3.9 19.5 34 34 A N S S+ 0 0 4 -2,-0.3 2,-0.3 -16,-0.3 -14,-0.1 -0.573 72.5 97.6 -68.1 107.1 23.7 -3.8 15.8 35 35 A S S S- 0 0 2 -2,-0.7 712,-0.1 402,-0.1 402,-0.1 -0.967 91.2 -66.8-172.8 179.8 25.1 -0.3 15.4 36 36 A L S S+ 0 0 8 710,-0.6 2,-0.6 -2,-0.3 711,-0.1 0.597 117.9 63.2 -65.3 -19.0 28.2 1.9 15.2 37 37 A L S S- 0 0 31 709,-0.3 2,-0.8 -4,-0.1 -4,-0.1 -0.961 73.2-163.2-107.6 114.3 29.0 1.1 18.9 38 38 A I + 0 0 52 -2,-0.6 2,-0.3 339,-0.1 -4,-0.1 -0.876 33.9 128.6 -99.9 109.2 29.7 -2.6 19.4 39 39 A Q - 0 0 86 -2,-0.8 2,-0.5 -6,-0.3 -6,-0.5 -0.985 57.7-107.3-152.0 161.3 29.4 -3.5 23.0 40 40 A V - 0 0 35 -2,-0.3 2,-0.5 -8,-0.1 -8,-0.2 -0.815 32.3-169.4 -93.5 128.1 27.7 -6.0 25.3 41 41 A V E -H 31 0C 42 -10,-2.8 -10,-2.6 -2,-0.5 2,-0.4 -0.973 16.7-139.8-117.2 123.0 24.9 -4.6 27.4 42 42 A K E +H 30 0C 94 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.716 28.8 167.9 -79.1 129.6 23.3 -6.6 30.3 43 43 A V E + 0 0 17 -14,-3.3 50,-0.5 -2,-0.4 2,-0.4 0.652 55.8 32.9-117.0 -24.9 19.5 -5.9 30.3 44 44 A I E -H 29 0C 1 -15,-1.4 -15,-2.0 2,-0.1 2,-1.2 -0.987 55.7-149.1-141.3 128.8 17.8 -8.4 32.6 45 45 A N S S+ 0 0 96 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.381 82.8 55.1 -89.1 58.8 19.0 -10.0 35.8 46 46 A N + 0 0 38 -2,-1.2 -17,-0.4 1,-0.1 6,-0.2 -0.924 66.8 67.7-169.8 179.3 17.0 -13.1 35.0 47 47 A F S S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.2 5,-0.2 0.721 83.4 120.8 62.2 23.1 16.5 -15.8 32.3 48 48 A G S S- 0 0 0 3,-2.9 6,-2.4 -21,-0.1 5,-0.4 -0.797 78.8-114.1-119.1 161.6 20.1 -17.0 33.2 49 49 A Y S S+ 0 0 52 -24,-0.5 4,-0.2 342,-0.4 -23,-0.2 0.921 122.1 19.1 -56.7 -48.8 21.6 -20.2 34.4 50 50 A D S S+ 0 0 121 -24,-2.2 2,-1.6 1,-0.2 -23,-0.2 0.854 117.5 71.8 -90.8 -36.3 22.6 -18.6 37.7 51 51 A A S S- 0 0 15 -25,-2.1 -3,-2.9 -26,-0.2 -1,-0.2 -0.588 130.8 -16.5 -83.7 84.4 20.2 -15.6 37.4 52 52 A G S S- 0 0 59 -2,-1.6 -1,-0.2 -6,-0.2 -3,-0.1 0.295 102.3 -93.0 103.1 -9.5 16.9 -17.5 38.1 53 53 A G + 0 0 29 -5,-0.4 -4,-0.2 -4,-0.2 2,-0.2 0.795 60.1 175.7 75.8 31.6 18.1 -21.1 37.5 54 54 A W - 0 0 12 -6,-2.4 2,-0.4 -3,-0.1 -1,-0.2 -0.549 10.1-162.9 -76.2 135.3 17.1 -21.3 33.9 55 55 A R >> - 0 0 58 -2,-0.2 4,-2.6 1,-0.1 3,-1.4 -0.977 25.6-143.8-126.5 130.8 18.1 -24.6 32.3 56 56 A V T 34 S+ 0 0 51 334,-0.5 -1,-0.1 -2,-0.4 335,-0.1 0.900 106.2 52.8 -58.0 -36.1 18.5 -25.5 28.6 57 57 A E T 34 S+ 0 0 109 333,-0.2 56,-0.5 1,-0.2 -1,-0.3 0.588 123.0 24.9 -80.2 -8.2 17.2 -29.0 29.4 58 58 A K T <4 S+ 0 0 56 -3,-1.4 2,-0.3 1,-0.1 48,-0.2 0.541 116.9 47.5-123.1 -17.5 14.0 -27.7 31.2 59 59 A H < - 0 0 13 -4,-2.6 2,-0.4 46,-0.1 19,-0.2 -0.884 61.2-137.8-134.7 160.8 13.1 -24.3 29.9 60 60 A V E -I 77 0D 28 17,-1.5 17,-2.8 -2,-0.3 2,-0.4 -0.950 13.9-167.7-123.4 135.9 12.7 -22.4 26.6 61 61 A R E +I 76 0D 5 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.998 19.7 155.2-131.5 123.3 14.0 -18.8 26.0 62 62 A L E -I 75 0D 3 13,-2.9 13,-2.4 -2,-0.4 2,-0.4 -0.831 36.3-125.6-135.0 169.3 12.9 -16.9 22.9 63 63 A L E +I 74 0D 9 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.980 39.1 147.7-118.9 146.4 12.5 -13.4 21.6 64 64 A A E -I 73 0D 13 9,-2.0 9,-2.7 -2,-0.4 2,-1.0 -0.944 52.2-104.1-170.1 149.8 9.1 -12.2 20.1 65 65 A D + 0 0 26 -2,-0.3 64,-2.3 7,-0.3 7,-0.2 -0.748 39.6 169.7 -81.9 103.7 7.0 -9.1 19.7 66 66 A T S S+ 0 0 7 -2,-1.0 82,-0.3 62,-0.2 80,-0.2 0.387 73.1 44.9 -96.6 1.1 4.2 -9.6 22.3 67 67 A T S S- 0 0 67 4,-0.4 61,-0.2 60,-0.2 80,-0.1 0.624 102.2-117.3-115.8 -21.9 2.8 -6.1 22.1 68 68 A G S S+ 0 0 30 59,-0.3 60,-0.1 3,-0.3 -3,-0.0 0.507 82.6 112.2 93.8 7.4 2.6 -5.2 18.3 69 69 A D S S- 0 0 69 2,-0.2 3,-0.1 1,-0.0 59,-0.1 0.223 90.2-111.5 -90.9 11.1 5.0 -2.3 18.3 70 70 A N S S+ 0 0 90 57,-0.3 2,-0.4 1,-0.3 331,-0.1 0.633 81.7 123.3 65.7 15.3 7.6 -4.2 16.2 71 71 A Q - 0 0 46 329,-0.1 -4,-0.4 16,-0.1 2,-0.3 -0.901 63.5-123.0-100.3 136.0 10.0 -4.3 19.3 72 72 A S - 0 0 16 327,-2.7 2,-0.3 -2,-0.4 -7,-0.3 -0.642 24.5-159.8 -82.5 136.7 11.1 -7.8 20.4 73 73 A D E -I 64 0D 1 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.5 -0.709 22.8-109.3-104.5 157.7 10.5 -8.9 24.0 74 74 A V E -IJ 63 85D 1 11,-2.4 11,-2.6 -2,-0.3 2,-0.4 -0.839 35.6-171.3 -92.3 134.3 12.1 -11.6 25.9 75 75 A V E -IJ 62 84D 0 -13,-2.4 -13,-2.9 -2,-0.5 2,-0.4 -0.979 4.5-173.9-133.3 124.7 10.0 -14.6 26.6 76 76 A G E -IJ 61 83D 0 7,-2.9 7,-3.1 -2,-0.4 2,-0.9 -0.992 22.3-151.2-126.7 129.3 10.8 -17.5 28.9 77 77 A F E +IJ 60 82D 0 -17,-2.8 -17,-1.5 -2,-0.4 5,-0.2 -0.880 41.8 176.7 -90.5 100.1 9.0 -20.7 29.4 78 78 A G - 0 0 2 3,-2.7 28,-1.3 -2,-0.9 29,-0.2 0.223 44.8 -70.6 -96.1-156.5 10.1 -21.2 33.0 79 79 A E S S+ 0 0 63 26,-0.2 28,-3.3 1,-0.2 29,-0.2 0.868 126.8 15.2 -70.8 -39.8 9.5 -23.7 35.8 80 80 A N S S- 0 0 99 1,-0.2 2,-0.3 26,-0.2 -1,-0.2 0.281 126.9 -34.3-125.7 7.2 5.9 -22.7 36.5 81 81 A G S S- 0 0 0 21,-0.2 -3,-2.7 23,-0.1 2,-0.5 -0.982 77.4 -48.1 167.9-163.6 4.7 -20.6 33.6 82 82 A V E -JK 77 101D 0 19,-2.7 18,-2.6 -2,-0.3 19,-0.9 -0.850 44.2-167.1-104.8 125.2 5.6 -18.1 30.9 83 83 A W E -JK 76 99D 86 -7,-3.1 -7,-2.9 -2,-0.5 2,-0.4 -0.914 1.4-166.0-113.3 136.6 7.5 -14.9 31.9 84 84 A I E -JK 75 98D 8 14,-2.6 14,-2.6 -2,-0.4 2,-0.6 -0.989 13.6-166.6-126.8 130.3 7.9 -11.9 29.6 85 85 A S E -J 74 0D 0 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.1 -0.955 28.0-143.7-104.0 110.5 10.3 -8.9 29.9 86 86 A T - 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